UCSF

ZINC19843277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 11 Yes

Other Names:

MFCD11131512

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.48 -0.03 -44.09 3 3 1 40 159.253 4
Mid Mid (pH 6-8) -0.48 1.79 -25.57 3 3 1 40 159.253 4
Lo Low (pH 4.5-6) -0.48 2.28 -115.7 4 3 2 41 160.261 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )